SCHEMBL3474539

SCHEMBL3474539

CCN1CCCC1CNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.55
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
IKBKB O14920 1/20 0.49
KCNH2 Q12809 1/20 0.48
MCHR1 Q99705 2/20 0.48
RXRA P19793 2/20 0.47
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
MCHR2 Q969V1 1/20 0.46
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
DRD2 P14416 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3473387 0.85 RXRA (0.47) MALT1IKBKBRXRANR1H2NR1H3
SCHEMBL3474096 0.83 RXRA (0.49) MAPTKCNH2RXRANR1H2NR1H3
SCHEMBL3472065 0.83 RXRA (0.57) MAPTRXRANR1H2NR1H3ALDH1A1
SCHEMBL3474125 0.81 HPGD (0.50) RXRANR1H2NR1H3KDM4EHPGD
SCHEMBL3473364 0.81 RXRA (0.56) LMNAMAPTRXRANR1H2NR1H3
SCHEMBL3470915 0.81 CACNA1G (0.52) LMNAMAPTRXRANR1H2NR1H3
SCHEMBL3473893 0.80 RXRA (0.49) LMNARXRANR1H2NR1H3ALDH1A1
SCHEMBL15690868 0.79 RXRA (0.55) MAPTRXRANR1H2NR1H3POLB
SCHEMBL3474545 0.79 CHRNB2 (0.51) IKBKBRXRANR1H2NR1H3ALDH1A1
SCHEMBL3471281 0.79 RXRA (0.53) LMNAMAPTRXRANR1H2NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 MALT1 2992/4885LMNA 1608/4885MAPT 4737/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.